==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-APR-11 2YFU . COMPND 2 MOLECULE: CARBOHYDRATE BINDING FAMILY 6; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.Y.MONTANIER,M.A.S.CORREIA,J.E.FLINT,Y.ZHU,A.BASLE,L.S.MCKE . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 144 0, 0.0 135,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 99.6 95.5 34.8 21.1 2 2 A Y - 0 0 120 1,-0.1 135,-0.1 135,-0.0 3,-0.1 -0.395 360.0 -86.2 -81.8 160.1 92.8 37.5 20.7 3 3 A P - 0 0 86 0, 0.0 133,-1.9 0, 0.0 2,-0.2 -0.200 43.6 -98.2 -65.2 155.9 92.7 40.8 22.8 4 4 A K B -A 135 0A 116 131,-0.2 2,-0.3 1,-0.1 131,-0.3 -0.530 44.5-126.2 -69.3 136.9 91.0 41.2 26.2 5 5 A L - 0 0 21 129,-3.2 129,-0.4 -2,-0.2 2,-0.3 -0.635 19.2-152.6 -93.0 147.4 87.6 42.7 25.8 6 6 A T + 0 0 113 -2,-0.3 2,-0.3 43,-0.1 41,-0.1 -0.809 27.8 131.7-113.4 156.1 86.4 45.8 27.5 7 7 A G - 0 0 37 -2,-0.3 2,-0.5 39,-0.1 42,-0.2 -0.972 56.8 -57.7-175.5-170.0 82.9 46.9 28.5 8 8 A T E -E 48 0B 94 40,-2.9 40,-2.3 -2,-0.3 2,-0.3 -0.787 55.2-118.1 -90.1 129.6 80.5 48.2 31.1 9 9 A V E +E 47 0B 32 -2,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.507 40.4 176.0 -70.5 128.7 80.4 46.0 34.2 10 10 A I E +E 46 0B 36 36,-2.2 36,-2.7 -2,-0.3 2,-0.3 -0.892 21.1 78.8-128.1 159.8 76.8 44.7 34.8 11 11 A G E S+E 45 0B 12 -2,-0.3 34,-0.2 34,-0.3 32,-0.1 -0.906 72.9 2.0 143.6-165.5 75.4 42.3 37.4 12 12 A T - 0 0 25 32,-2.5 11,-0.5 -2,-0.3 2,-0.2 -0.245 65.6-133.3 -56.1 130.9 74.1 41.8 40.9 13 13 A Q + 0 0 151 9,-0.1 -1,-0.1 10,-0.1 2,-0.1 -0.585 61.8 19.2 -88.0 152.9 74.2 45.0 43.0 14 14 A G S S- 0 0 39 -2,-0.2 9,-0.3 23,-0.1 2,-0.3 -0.322 71.3-111.8 90.1-172.5 75.6 45.2 46.5 15 15 A S > - 0 0 9 22,-0.2 3,-2.2 7,-0.1 22,-0.3 -0.987 40.0 -65.8-161.4 161.6 77.9 43.0 48.5 16 16 A W G > S- 0 0 117 20,-2.6 3,-2.4 5,-0.3 5,-0.3 -0.274 116.8 -12.1 -60.0 127.2 78.0 40.7 51.4 17 17 A N G 3 S- 0 0 115 1,-0.3 -1,-0.3 21,-0.2 20,-0.0 0.697 113.9 -81.9 52.9 24.9 77.3 42.5 54.7 18 18 A N G < S+ 0 0 145 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.720 92.5 139.4 56.9 24.0 77.8 45.8 52.8 19 19 A I S < S- 0 0 120 -3,-2.4 -2,-0.1 17,-0.1 -1,-0.1 0.880 71.6-110.7 -66.9 -35.4 81.6 45.4 53.1 20 20 A G S S+ 0 0 28 -4,-0.3 2,-2.2 16,-0.2 5,-0.1 0.497 71.4 138.3 118.7 8.5 82.1 46.6 49.6 21 21 A N + 0 0 39 -5,-0.3 15,-2.8 15,-0.2 -5,-0.3 -0.470 37.5 166.2 -80.5 67.8 83.2 43.5 47.7 22 22 A T > - 0 0 41 -2,-2.2 3,-2.1 13,-0.2 4,-0.3 -0.119 56.2 -86.7 -78.2 177.9 81.0 44.3 44.7 23 23 A I G > S+ 0 0 4 -11,-0.5 3,-1.9 -9,-0.3 12,-0.1 0.774 120.7 73.6 -55.5 -26.1 81.1 42.9 41.2 24 24 A H G > S+ 0 0 107 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.758 80.3 71.6 -64.2 -22.4 83.7 45.5 40.3 25 25 A K G X S+ 0 0 70 -3,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.661 88.1 64.1 -67.0 -15.4 86.3 43.5 42.3 26 26 A A G < S+ 0 0 0 -3,-1.9 106,-2.6 -4,-0.3 -1,-0.3 0.472 106.2 42.5 -84.8 0.4 86.3 40.9 39.5 27 27 A F G < S+ 0 0 55 -3,-1.8 -1,-0.2 104,-0.2 -2,-0.2 0.212 85.4 93.7-128.5 16.4 87.7 43.4 36.9 28 28 A D S < S- 0 0 72 -3,-0.6 -2,-0.1 2,-0.2 3,-0.1 0.433 91.7-116.0 -97.4 -0.9 90.4 45.2 38.9 29 29 A G S S+ 0 0 59 1,-0.2 2,-0.6 103,-0.1 102,-0.1 0.422 80.1 115.7 81.8 -0.4 93.4 43.1 37.9 30 30 A D > - 0 0 61 -5,-0.3 3,-1.2 100,-0.2 -2,-0.2 -0.903 49.9-163.8-107.4 118.2 94.0 41.9 41.5 31 31 A L T 3 S+ 0 0 53 -2,-0.6 35,-0.3 1,-0.2 70,-0.2 0.624 90.2 63.5 -75.0 -9.1 93.6 38.2 42.1 32 32 A N T 3 S+ 0 0 134 33,-0.1 2,-0.4 69,-0.1 -1,-0.2 0.567 91.6 73.1 -85.7 -14.0 93.4 39.0 45.9 33 33 A T < + 0 0 32 -3,-1.2 2,-0.3 97,-0.2 -5,-0.1 -0.853 66.1 178.8-104.0 144.3 90.2 41.0 45.5 34 34 A F - 0 0 40 -2,-0.4 2,-0.5 31,-0.0 96,-0.3 -0.929 34.1-105.7-142.8 157.9 86.9 39.2 44.9 35 35 A F B -I 129 0C 0 94,-2.8 94,-0.8 -2,-0.3 2,-0.5 -0.790 30.5-177.3 -81.9 127.6 83.1 39.7 44.4 36 36 A D - 0 0 8 -15,-2.8 -20,-2.6 -2,-0.5 -16,-0.2 -0.958 21.9-144.2-126.2 103.8 81.2 38.5 47.5 37 37 A G - 0 0 0 89,-3.3 -22,-0.2 -2,-0.5 -23,-0.1 -0.212 17.9-116.2 -74.0 164.3 77.5 39.0 46.7 38 38 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 0.679 97.5 39.8 -74.0 -17.6 74.8 40.0 49.1 39 39 A T S S- 0 0 77 1,-0.1 4,-0.2 -23,-0.1 -2,-0.1 -0.926 78.0-125.3-130.1 156.5 72.9 36.7 48.8 40 40 A A S S+ 0 0 45 -2,-0.3 86,-2.3 86,-0.1 85,-0.8 0.869 93.7 39.3 -65.4 -38.3 74.0 33.0 48.6 41 41 A N S S+ 0 0 79 82,-0.2 82,-0.1 83,-0.2 -2,-0.1 -0.778 102.2 30.8-114.9 157.9 72.1 32.4 45.4 42 42 A G S S+ 0 0 51 79,-0.4 -1,-0.1 -2,-0.3 2,-0.1 0.356 71.5 146.5 90.4 -4.2 71.3 34.2 42.2 43 43 A C + 0 0 0 -4,-0.2 78,-2.0 79,-0.2 2,-0.3 -0.390 15.2 159.4 -75.3 143.2 74.5 36.3 41.9 44 44 A W E - F 0 120B 57 76,-0.2 -32,-2.5 -2,-0.1 2,-0.3 -0.977 14.7-176.9-153.6 161.0 75.9 37.1 38.5 45 45 A L E +EF 11 119B 0 74,-1.8 74,-3.0 -2,-0.3 2,-0.3 -0.980 19.2 123.6-157.5 157.6 78.3 39.6 36.8 46 46 A G E -EF 10 118B 0 -36,-2.7 -36,-2.2 -2,-0.3 2,-0.4 -0.892 45.9 -68.0 178.8-154.5 79.6 40.3 33.3 47 47 A L E -EF 9 117B 9 70,-1.9 70,-2.0 -2,-0.3 2,-0.6 -0.970 11.3-152.3-132.7 145.3 79.9 43.0 30.6 48 48 A D E -EF 8 116B 23 -40,-2.3 -40,-2.9 -2,-0.4 68,-0.2 -0.986 14.2-159.6-107.7 116.6 77.8 45.0 28.2 49 49 A F - 0 0 16 66,-3.3 67,-0.1 -2,-0.6 5,-0.1 0.649 50.6-100.7 -72.5 -14.1 80.1 45.7 25.3 50 50 A G > - 0 0 20 65,-0.4 3,-2.3 3,-0.2 -1,-0.2 -0.160 49.8 -43.7 112.2 155.9 77.8 48.6 24.3 51 51 A E T 3 S+ 0 0 169 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.276 127.6 7.0 -51.0 131.1 75.0 49.4 21.9 52 52 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.496 102.4 117.2 70.1 4.7 75.9 48.1 18.4 53 53 A V < + 0 0 62 -3,-2.3 2,-0.4 62,-0.0 -4,-0.2 -0.919 35.7 171.9-107.5 127.2 79.0 46.3 19.6 54 54 A R - 0 0 133 -2,-0.5 85,-2.7 85,-0.1 2,-0.4 -0.999 9.0-167.9-133.3 132.3 79.1 42.5 19.3 55 55 A N E -BC 114 138A 13 59,-2.4 59,-2.7 -2,-0.4 2,-0.5 -0.941 21.6-132.4-119.7 145.0 82.2 40.3 19.9 56 56 A V E -BC 113 137A 26 81,-3.2 81,-1.9 -2,-0.4 2,-0.5 -0.823 31.1-134.7 -85.9 128.4 82.8 36.7 19.2 57 57 A I E + C 0 136A 1 55,-0.5 53,-0.5 -2,-0.5 79,-0.3 -0.772 33.3 166.7 -91.5 126.0 84.2 35.2 22.4 58 58 A T E + 0 0 31 77,-2.6 50,-2.1 -2,-0.5 2,-0.3 0.620 64.8 10.4-111.0 -19.0 87.3 32.9 21.9 59 59 A Q E -DC 107 135A 33 76,-1.4 76,-2.6 48,-0.3 2,-0.4 -0.982 54.7-159.2-160.2 146.5 88.6 32.5 25.4 60 60 A I E -DC 106 134A 0 46,-2.3 46,-2.7 -2,-0.3 2,-0.4 -0.989 9.9-166.4-127.2 140.1 87.5 33.1 29.0 61 61 A K E +DC 105 133A 55 72,-2.6 72,-2.6 -2,-0.4 2,-0.3 -0.984 12.1 170.3-126.0 143.8 89.8 33.4 32.0 62 62 A F E -DC 104 132A 4 42,-2.1 42,-3.1 -2,-0.4 70,-0.2 -0.991 21.2-156.9-147.5 156.1 88.8 33.3 35.7 63 63 A C E - C 0 131A 0 68,-2.2 67,-2.9 -2,-0.3 68,-1.6 -1.000 23.7-131.0-132.7 133.1 90.3 33.1 39.1 64 64 A P - 0 0 1 0, 0.0 37,-0.4 0, 0.0 2,-0.4 -0.297 35.3 -88.8 -73.9 163.3 88.3 31.8 42.2 65 65 A R > - 0 0 32 3,-0.3 3,-2.5 63,-0.2 6,-0.2 -0.615 57.1 -99.6 -66.0 130.1 88.1 33.6 45.5 66 66 A S T 3 S+ 0 0 86 -2,-0.4 -1,-0.1 -35,-0.3 63,-0.0 -0.283 107.5 11.1 -55.2 126.7 91.0 32.3 47.6 67 67 A G T 3 S+ 0 0 48 -3,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.331 121.1 70.5 86.2 -6.7 89.8 29.6 50.0 68 68 A Y X + 0 0 83 -3,-2.5 3,-1.4 1,-0.1 -3,-0.3 -0.115 52.8 130.3-131.4 35.3 86.4 29.4 48.3 69 69 A E G > + 0 0 33 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.835 66.9 64.0 -62.9 -32.8 87.4 27.7 45.0 70 70 A Q G > S+ 0 0 100 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.763 85.8 75.2 -64.4 -23.3 84.7 25.1 45.3 71 71 A R G < S+ 0 0 65 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.571 90.4 57.8 -68.7 -5.8 82.1 27.9 45.0 72 72 A M G X S+ 0 0 0 -3,-1.9 3,-2.4 -4,-0.2 -1,-0.3 0.615 76.0 110.7 -93.5 -16.0 82.8 28.1 41.3 73 73 A I T < S+ 0 0 70 -3,-1.5 22,-0.2 -4,-0.3 3,-0.1 -0.442 87.0 18.1 -68.1 130.6 82.0 24.5 40.5 74 74 A G T 3 S+ 0 0 40 20,-2.8 -1,-0.3 1,-0.4 21,-0.1 0.258 92.2 134.7 88.9 -10.4 78.8 24.4 38.4 75 75 A G < - 0 0 0 -3,-2.4 19,-2.9 19,-0.1 -1,-0.4 -0.400 40.0-155.3 -63.6 150.5 79.1 28.1 37.5 76 76 A I E -GH 93 120B 31 44,-2.1 44,-3.0 17,-0.2 2,-0.4 -0.895 11.9-138.9-127.2 158.1 78.4 28.8 33.8 77 77 A F E -GH 92 119B 0 15,-2.4 14,-3.1 -2,-0.3 15,-1.2 -0.958 25.5-170.4-113.0 137.8 79.4 31.5 31.4 78 78 A Q E -GH 90 118B 23 40,-2.5 40,-2.1 -2,-0.4 2,-0.4 -0.929 16.7-152.6-128.4 150.0 76.8 32.8 28.9 79 79 A G E +GH 89 117B 0 10,-2.1 10,-2.0 -2,-0.3 2,-0.3 -0.923 28.1 160.6-112.9 147.3 76.7 35.1 25.8 80 80 A A E - H 0 116B 0 36,-2.6 36,-2.7 -2,-0.4 35,-0.8 -0.978 44.0-145.6-155.4 166.7 73.6 37.0 24.9 81 81 A N S S+ 0 0 59 -2,-0.3 2,-0.4 34,-0.2 36,-0.0 0.217 87.7 69.6-120.4 12.9 72.1 39.9 22.9 82 82 A K S > S- 0 0 102 34,-0.1 3,-2.1 1,-0.1 5,-0.2 -0.995 79.5-135.5-124.9 137.7 69.4 40.7 25.5 83 83 A E T 3 S+ 0 0 140 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.685 107.0 57.8 -68.7 -18.2 70.4 42.2 28.8 84 84 A D T 3 S- 0 0 100 -3,-0.0 -1,-0.3 1,-0.0 4,-0.1 0.417 105.3-131.2 -87.0 2.4 68.0 39.8 30.5 85 85 A F X + 0 0 10 -3,-2.1 3,-1.7 1,-0.1 -2,-0.1 0.635 63.9 136.4 59.3 18.3 69.8 36.8 29.0 86 86 A S T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -6,-0.0 -3,-0.1 0.757 77.2 43.5 -67.0 -21.5 66.6 35.2 27.8 87 87 A D T 3 S+ 0 0 68 -5,-0.2 -1,-0.3 2,-0.1 -8,-0.1 0.251 92.4 139.9 -98.8 10.4 68.3 34.4 24.4 88 88 A A < - 0 0 29 -3,-1.7 2,-0.4 -8,-0.1 -8,-0.2 -0.084 37.6-158.7 -65.2 154.6 71.5 33.2 26.1 89 89 A V E -G 79 0B 55 -10,-2.0 -10,-2.1 0, 0.0 2,-0.5 -0.971 27.0-113.5-124.3 142.8 73.7 30.3 25.1 90 90 A T E -G 78 0B 67 -2,-0.4 -12,-0.3 -12,-0.2 3,-0.1 -0.667 28.1-177.0 -78.5 124.3 76.2 28.6 27.5 91 91 A L E - 0 0 21 -14,-3.1 18,-0.3 -2,-0.5 2,-0.3 0.735 68.4 -6.9 -90.7 -28.0 79.8 29.2 26.5 92 92 A F E -G 77 0B 64 -15,-1.2 -15,-2.4 16,-0.1 2,-0.4 -0.941 56.0-148.1-167.3 145.6 81.4 27.0 29.2 93 93 A T E -G 76 0B 63 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.991 22.1-130.8-122.5 127.0 80.5 25.2 32.3 94 94 A I + 0 0 3 -19,-2.9 -20,-2.8 -2,-0.4 -19,-0.1 -0.648 38.2 158.5 -77.4 120.2 82.9 24.9 35.2 95 95 A T + 0 0 113 -2,-0.6 2,-0.3 -22,-0.2 -1,-0.2 0.549 54.0 55.1-120.4 -13.1 83.1 21.2 36.2 96 96 A S S S- 0 0 85 -24,-0.1 -22,-0.1 1,-0.0 -1,-0.1 -0.883 94.7 -88.6-123.3 158.3 86.4 20.9 38.1 97 97 A L - 0 0 106 -2,-0.3 2,-0.2 1,-0.1 -27,-0.1 -0.417 46.4-129.3 -61.8 120.0 87.9 22.8 41.0 98 98 A P - 0 0 8 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 -0.481 26.7-103.1 -73.0 141.6 89.8 25.9 39.7 99 99 A G > - 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